Rahman-Zamiur-MassCalculator-Assignment.py

import re

# Edit: I'll just put it all into a dictionary insteaad rather than creating one and appending every single one
# This took too long

elements = {'H': 1.00794, 'He': 4.002602, 'Li': 6.941, 'Be': 9.012182, 'B': 10.811, 'C': 12.0107, 'N': 14.0067,
               'O': 15.9994, 'F': 18.9984032, 'Ne': 20.1797, 'Na': 22.98976928, 'Mg': 24.305, 'Al': 26.9815386,
              'Si': 28.0855, 'P': 30.973762, 'S': 32.065, 'Cl': 35.453, 'Ar': 39.948, 'K': 39.0983, 'Ca': 40.078,
              'Sc': 44.955912, 'Ti': 47.867, 'V': 50.9415, 'Cr': 51.9961, 'Mn': 54.938045,
              'Fe': 55.845, 'Co': 58.933195, 'Ni': 58.6934, 'Cu': 63.546, 'Zn': 65.409, 'Ga': 69.723, 'Ge': 72.64,
              'As': 74.9216, 'Se': 78.96, 'Br': 79.904, 'Kr': 83.798, 'Rb': 85.4678, 'Sr': 87.62, 'Y': 88.90585,
              'Zr': 91.224, 'Nb': 92.90638, 'Mo': 95.94, 'Tc': 98.9063, 'Ru': 101.07, 'Rh': 102.9055, 'Pd': 106.42,
              'Ag': 107.8682, 'Cd': 112.411, 'In': 114.818, 'Sn': 118.71, 'Sb': 121.760, 'Te': 127.6,
              'I': 126.90447, 'Xe': 131.293, 'Cs': 132.9054519, 'Ba': 137.327, 'La': 138.90547, 'Ce': 140.116,
              'Pr': 140.90465, 'Nd': 144.242, 'Pm': 146.9151, 'Sm': 150.36, 'Eu': 151.964, 'Gd': 157.25,
              'Tb': 158.92535, 'Dy': 162.5, 'Ho': 164.93032, 'Er': 167.259, 'Tm': 168.93421, 'Yb': 173.04,
              'Lu': 174.967, 'Hf': 178.49, 'Ta': 180.9479, 'W': 183.84, 'Re': 186.207, 'Os': 190.23, 'Ir': 192.217,
              'Pt': 195.084, 'Au': 196.966569, 'Hg': 200.59, 'Tl': 204.3833, 'Pb': 207.2, 'Bi': 208.9804,
              'Po': 208.9824, 'At': 209.9871, 'Rn': 222.0176, 'Fr': 223.0197, 'Ra': 226.0254, 'Ac': 227.0278,
              'Th': 232.03806, 'Pa': 231.03588, 'U': 238.02891, 'Np': 237.0482, 'Pu': 244.0642, 'Am': 243.0614,
              'Cm': 247.0703, 'Bk': 247.0703, 'Cf': 251.0796, 'Es': 252.0829, 'Fm': 257.0951, 'Md': 258.0951,
              'No': 259.1009, 'Lr': 262, 'Rf': 267, 'Db': 268, 'Sg': 271, 'Bh': 270, 'Hs': 269, 'Mt': 278,
              'Ds': 281, 'Rg': 281, 'Cn': 285, 'Nh': 284, 'Fl': 289, 'Mc': 289, 'Lv': 292, 'Ts': 294, 'Og': 294}

print("Molecular Mass Calculator")
print("Supported input")
print("an element on its own e.g C")
print("an element with two letters e.g Cl")
print("a compound e.g CH4")
print("condensed formula e.g CH3(CH2)8CH3 instead of C10H22)")
formula = input("Enter in chemical formula: ")

sFormula = formula

print("Formula Entered: ", sFormula) # Self explannatory, prints out what user has entered

print("Elements: ")

# Search data inside

myRegEx = re.compile(r"(\()(\w*)(\))(\d*)",re.I)    # in raw string, match whatever contains brackets, characters (i.e. letters a-z, A-Z), numbers from 0-9 and ignore case (re.I)

myMatches = myRegEx.findall(sFormula)

while myMatches:    #start of while loop
    myMatches = myRegEx.findall(sFormula) 
    for match in myMatches:
        print (match[1], match[3])
        count = match[3]
        text =""
        if (count == ""):
            count = 1
        else:
            count = int(match[3])
        while (count >= 1):
            text = text + match[1]
            count -= 1
            print(text)
        sFormula = sFormula.replace('(' + match[1] + ')' + match[3], text)
        print("Replaced formula: ",sFormula)

# This pattern object is used to search a pattern (i.e. element symbols).
# TODO: Finish adding all elements to re.compile (DONE)
myRegEx = re.compile("(C[lanroudsemf]?|O[gs]?|N[heaibdposh]?|S[icernbmg]?|P[drmtboau]?|H[eofgas]?|A[lrsgutcm]|B[eraik]?|D[ys]|E[urs]|F[lerm]?|G[aed]|I[nr]?|Kr?|L[iaur]|M[gnodtc]|R[buhenfga]|T[icsebmalh]|U|V|W|Xe|Yb?|Z[nr])(\d*)")

myMatches = myRegEx.findall(sFormula) # Find the match of what elements appear in "sFormula" to myRegEx
molecularFormula =""
mm = 0
text =""

# This for statement is used to 
for match in myMatches:
    symbol = match[0]   # Search for symbols in position 0 of match
    number = match[1]   # Search for numbers in position 1 of match
    print(symbol,number)
    if (number == ""):  # If no number is present with the symbol in the chemical formula (Such as "Cl" on its own)
        number = 1      # Multiply with 1 (i.e. for the molecular mass)
    else:
        number = int(match[1])  # Converts the string match[1] into an integer
    mm = mm + float(elements[symbol])*number    # Calculate molecular mass by adding on the molecular mass of elements[symbol]*number to variable mm in for loop until there is no elements left
    while (number >=1):
        molecularFormula = molecularFormula + symbol
        number -= 1 
print(f"{molecularFormula}")
print(f"The molecular mass of {formula} is {str(mm)}")